CID 6481572

[1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-acetonitrile

Structural Information

Molecular Formula
C11H13N3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CC#N)CO)O
InChI
InChI=1S/C11H13N3O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h4,7-9,15-16H,1,3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
InChIKey
PPLPDOSNBUMREL-DJLDLDEBSA-N
Compound name
2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.0855 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09278 154.6
[M+Na]+ 290.07472 164.9
[M-H]- 266.07822 154.9
[M+NH4]+ 285.11932 165.4
[M+K]+ 306.04866 161.5
[M+H-H2O]+ 250.08276 140.5
[M+HCOO]- 312.08370 167.7
[M+CH3COO]- 326.09935 200.0
[M+Na-2H]- 288.06017 155.5
[M]+ 267.08495 148.9
[M]- 267.08605 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.